For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Acetyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridinecarbonitrile
SpectraBase Compound ID LK8lzveJiTj
InChI InChI=1S/C16H13F3N2OS/c1-8-13(9(2)22)14(11(7-20)15(23)21-8)10-5-3-4-6-12(10)16(17,18)19/h3-6,14,21,23H,1-2H3
InChIKey IQEXWFSUJMYLIC-UHFFFAOYSA-N
Mol Weight 338.35 g/mol
Molecular Formula C16H13F3N2OS
Exact Mass 338.070069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lkyc5IGPZFd
Name 5-Acetyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridinecarbonitrile
CAS Registry Number 303115-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F3N2OS
InChI InChI=1S/C16H13F3N2OS/c1-8-13(9(2)22)14(11(7-20)15(23)21-8)10-5-3-4-6-12(10)16(17,18)19/h3-6,14,21,23H,1-2H3
InChIKey IQEXWFSUJMYLIC-UHFFFAOYSA-N
Molecular Weight 338.348 g/mol
SMILES N1C(=C(C(C(C(=O)C)=C1C)c1c(C(F)(F)F)cccc1)C#N)S
SPLASH splash10-052p-9573000000-cf64a34477c4c6f73730
Source of Spectrum AD-0-2532-0
Synonyms 5-Acetyl-2-mercapto-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile 5-Acetyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile 5-Ethanoyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile Pyridine-3-carbonitrile, 1,4-dihydro-5-acetyl-4-(2-trifluoromethylphenyl)-2-mercapto-6-methyl-
Wiley ID 1421254